MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	y+1/2,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 }
3	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
6	-y+1/2,-x+1/2,z,+1	{ m₁₁₀ \| 1/2 1/2 0 }
7	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
11	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
12	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
15	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
16	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	-y,-x,-z,+1	2_1-10
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,-x,z,+1	m₁₁₀
7	y,x,z,+1	m_1-10
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	y,x,-z,-1	2'₁₁₀
11	-y,-x,-z,-1	2'_1-10
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-y,-x,z,-1	m'₁₁₀
15	y,x,z,-1	m'_1-10
16	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	Multiplicity
Ni1_1	Ni	0.37500	0.87500	4
Ni1_2	Ni	0.12500	0.37500	4
Sn1	Sn	0.00000	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.17390	0.67390	0.25000	m_x,m_x,0	-1.00000	-1.00000	0.00000
2	0.82610	0.32610	0.75000	-m_x,-m_x,0	1.00000	1.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.17390	0.67390	0.75000	-m_x,-m_x,0	1.00000	1.00000	0.00000
4	0.82610	0.32610	0.25000	m_x,m_x,0	-1.00000	-1.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32610	0.17390	0.25000	m_x,m_x,0	1.00000	1.00000	0.00000
2	0.67390	0.82610	0.25000	m_x,m_x,0	1.00000	1.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.32610	0.17390	0.75000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000
4	0.67390	0.82610	0.75000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000

Atom	x	y	z
1	0.37500	0.87500	0.00000
2	0.62500	0.12500	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.37500	0.87500	0.50000
4	0.62500	0.12500	0.50000

Atom	x	y	z
1	0.12500	0.37500	0.00000
2	0.87500	0.62500	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.12500	0.37500	0.50000
4	0.87500	0.62500	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000
4	0.50000	0.50000	0.00000

Reference: F. Bouree, B. Chevalier, L. Fournes, F. Mirambet, T. Roisnel, V. Tran and Z. Zolnierek, Journal of Magnetism and Magnetic Materials (1994) 138 307-313.
DOI: 10.1016/0304-8853(94)90052-3
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/mbm (#127)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 25 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.214 7.214 7.414 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_cmcm (#63.466) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,-a+b,c;1/2,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1_1	U	0.17390	0.67390	0.25000	4	m_x,m_x,0	-1.	-1.	0.0	1.41
U1_2	U	0.32610	0.17390	0.25000	4	m_x,m_x,0	1.	1.	0.0	1.41

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.17390	0.67390	0.25000	m_x,m_x,0	-1.00000	-1.00000	0.00000
2	0.82610	0.32610	0.75000	-m_x,-m_x,0	1.00000	1.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.17390	0.67390	0.75000	-m_x,-m_x,0	1.00000	1.00000	0.00000
4	0.82610	0.32610	0.25000	m_x,m_x,0	-1.00000	-1.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32610	0.17390	0.25000	m_x,m_x,0	1.00000	1.00000	0.00000
2	0.67390	0.82610	0.25000	m_x,m_x,0	1.00000	1.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.32610	0.17390	0.75000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000
4	0.67390	0.82610	0.75000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5-	2	2	special	primary	2

Comments:

NPD
Positional structure from model determined at 300K
lattice parameters from a measurement at 36K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep active along special direction
The magnetic site is splitted.
The experiment did not distinguish the direction of the spins on the ab plane. Here the direction is assumed to be (1,1,0), such that the symmetry is maximal.
Collinearity is forced by the MSG, but not the modulus equality of the two independent sites.

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MAGNDATA: A Collection of magnetic structures with portable cif-type files

U2Ni2Sn (#1.200)

U₂Ni₂Sn (#1.200)